2-[(3R)-3-deuteriopiperidin-1-yl]-3-(trifluoromethyl)pyridine

C11H13F3N2 — CID 175941093

IUPAC2-[(3R)-3-deuteriopiperidin-1-yl]-3-(trifluoromethyl)pyridine
SMILES[2H][C@@H]1CCCN(c2ncccc2C(F)(F)F)C1
InChIInChI=1S/C11H13F3N2/c12-11(13,14)9-5-4-6-15-10(9)16-7-2-1-3-8-16/h4-6H,1-3,7-8H2/i2D/t2-/m1/s1
InChIKeyZNYHIWMJPXRGPV-DVWNSKMASA-N
MW231.24 g/mol
LogP3.09
Rot. Bonds1

About 2-[(3R)-3-deuteriopiperidin-1-yl]-3-(trifluoromethyl)pyridine

2-[(3R)-3-deuteriopiperidin-1-yl]-3-(trifluoromethyl)pyridine (PubChem CID 175941093) has the molecular formula C11H13F3N2 and a molecular weight of 231.24 g/mol. Its IUPAC name is 2-[(3R)-3-deuteriopiperidin-1-yl]-3-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name2-[(3R)-3-deuteriopiperidin-1-yl]-3-(trifluoromethyl)pyridine
PubChem CID175941093
Molecular FormulaC11H13F3N2
Molecular Weight231.24 g/mol
Exact Mass231.11
IUPAC Name2-[(3R)-3-deuteriopiperidin-1-yl]-3-(trifluoromethyl)pyridine
SMILES[2H][C@@H]1CCCN(c2ncccc2C(F)(F)F)C1
InChIInChI=1S/C11H13F3N2/c12-11(13,14)9-5-4-6-15-10(9)16-7-2-1-3-8-16/h4-6H,1-3,7-8H2/i2D/t2-/m1/s1
InChIKeyZNYHIWMJPXRGPV-DVWNSKMASA-N
XLogP3.09
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.24
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-chloropiperidin-1-yl)-3-(trifluoromethyl)pyridine
CID 63388486
4-methyl-1-[3-(trifluoromethyl)-2-pyridinyl]azepan-4-ol
CID 107407458
1-[3-(trifluoromethyl)-2-pyridinyl]piperidine-3-carboxamide
CID 47174336
6-piperidin-1-yl-2-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyrimidin-4-amine
CID 70929943
(3R)-1-[3-(trifluoromethyl)-2-pyridinyl]pyrrolidine-3-carboxylic acid
CID 94918055
2-[(2R)-2-methylpiperidin-1-yl]-3-(trifluoromethyl)pyridine
CID 125486842
(3S)-3-methyl-1-[3-(trifluoromethyl)-2-pyridinyl]piperazine
CID 68719907
2-chloro-4-methyl-6-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-1,3,5-triazine
CID 89165589
N-methyl-1-[3-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide
CID 47174519
1-[1-[3-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]pyrrolidin-2-one
CID 56872917
(3aR,6aS)-5-[3-(trifluoromethyl)-2-pyridinyl]-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 114042570
2-pyrrol-1-yl-3-(trifluoromethyl)pyridine
CID 173026104

Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-3-deuteriopiperidin-1-yl]-3-(trifluoromethyl)pyridine?
The IUPAC name of 2-[(3R)-3-deuteriopiperidin-1-yl]-3-(trifluoromethyl)pyridine (CID 175941093) is 2-[(3R)-3-deuteriopiperidin-1-yl]-3-(trifluoromethyl)pyridine.
What is the SMILES notation for 2-[(3R)-3-deuteriopiperidin-1-yl]-3-(trifluoromethyl)pyridine?
The canonical SMILES for 2-[(3R)-3-deuteriopiperidin-1-yl]-3-(trifluoromethyl)pyridine is [2H][C@@H]1CCCN(c2ncccc2C(F)(F)F)C1.
What is the InChIKey of 2-[(3R)-3-deuteriopiperidin-1-yl]-3-(trifluoromethyl)pyridine?
The InChIKey is ZNYHIWMJPXRGPV-DVWNSKMASA-N. The full InChI is InChI=1S/C11H13F3N2/c12-11(13,14)9-5-4-6-15-10(9)16-7-2-1-3-8-16/h4-6H,1-3,7-8H2/i2D/t2-/m1/s1.
What are the key properties of 2-[(3R)-3-deuteriopiperidin-1-yl]-3-(trifluoromethyl)pyridine?
2-[(3R)-3-deuteriopiperidin-1-yl]-3-(trifluoromethyl)pyridine has a molecular weight of 231.24 g/mol, XLogP of 3.09, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-3-deuteriopiperidin-1-yl]-3-(trifluoromethyl)pyridine is sourced from PubChem (CID 175941093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).